N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide

C12H19NO3S — CID 70523861

IUPACN-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
SMILESCC(C)(O)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-12(2,14)9-8-10-4-6-11(7-5-10)13-17(3,15)16/h4-7,13-14H,8-9H2,1-3H3
InChIKeyYDACQSYDPZJLKM-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.76
Rot. Bonds5

About N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide

N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide (PubChem CID 70523861) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
PubChem CID70523861
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
SMILESCC(C)(O)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-12(2,14)9-8-10-4-6-11(7-5-10)13-17(3,15)16/h4-7,13-14H,8-9H2,1-3H3
InChIKeyYDACQSYDPZJLKM-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide
CID 88730159
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469
potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide
CID 142885263
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
3-(4-tert-butylphenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]propanethioamide
CID 87894228
3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)phenyl]methyl]propanethioamide
CID 11855045
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide (CID 70523861) is N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide is CC(C)(O)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide?
The InChIKey is YDACQSYDPZJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,14)9-8-10-4-6-11(7-5-10)13-17(3,15)16/h4-7,13-14H,8-9H2,1-3H3.
What are the key properties of N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide?
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide is sourced from PubChem (CID 70523861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).